N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(dimethylamino)-N-methylazetidine-1-carboxamide

C12H24N4O2 — CID 156736482

IUPACN-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(dimethylamino)-N-methylazetidine-1-carboxamide
SMILESCC(C)[C@@H](C(N)=O)N(C)C(=O)N1CC(N(C)C)C1
InChIInChI=1S/C12H24N4O2/c1-8(2)10(11(13)17)15(5)12(18)16-6-9(7-16)14(3)4/h8-10H,6-7H2,1-5H3,(H2,13,17)/t10-/m0/s1
InChIKeyWSZAZGCUKZSQJB-JTQLQIEISA-N
MW256.35 g/mol
LogP-0.21
Rot. Bonds4

About N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(dimethylamino)-N-methylazetidine-1-carboxamide

N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(dimethylamino)-N-methylazetidine-1-carboxamide (PubChem CID 156736482) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(dimethylamino)-N-methylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(dimethylamino)-N-methylazetidine-1-carboxamide
PubChem CID156736482
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC NameN-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(dimethylamino)-N-methylazetidine-1-carboxamide
SMILESCC(C)[C@@H](C(N)=O)N(C)C(=O)N1CC(N(C)C)C1
InChIInChI=1S/C12H24N4O2/c1-8(2)10(11(13)17)15(5)12(18)16-6-9(7-16)14(3)4/h8-10H,6-7H2,1-5H3,(H2,13,17)/t10-/m0/s1
InChIKeyWSZAZGCUKZSQJB-JTQLQIEISA-N
XLogP-0.21
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(2S)-2-aminopropyl]carbamoyl-methylamino]-N,4-dimethylpentanamide
CID 89418902
(2S)-2-(dimethylcarbamoylamino)-3-methylbutanamide
CID 90964098
N,3-dimethyl-2-[methyl(propanoylcarbamoyl)amino]butanamide
CID 118882583
2-[carbamoyl(methyl)amino]-N,3-dimethylbutanamide
CID 121479390
(2S)-N-carbamoyl-2-(dimethylamino)-N,3-dimethylbutanamide
CID 122467802
N-[butan-2-yl(methyl)carbamoyl]-2-(dimethylamino)-3-methylbutanamide
CID 123222952
N-ethyl-3-(2-methylbutanoylamino)azetidine-1-carboxamide
CID 138636582
2-amino-N-(2-amino-2-oxoethyl)-3-methylbutanamide;propylurea
CID 142430780
N-methyl-3-(2-methylbutanoylamino)azetidine-1-carboxamide
CID 145616534
2-amino-3-methyl-N-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]butanamide
CID 155266734
2-[Dimethylcarbamoyl(methyl)amino]-3-methylbutanamide
CID 164884557
(2S)-3-methyl-2-[methyl-[methyl-(1-prop-2-enoylazetidin-3-yl)carbamoyl]amino]butanamide
CID 166115500

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(dimethylamino)-N-methylazetidine-1-carboxamide?
The IUPAC name of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(dimethylamino)-N-methylazetidine-1-carboxamide (CID 156736482) is N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(dimethylamino)-N-methylazetidine-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(dimethylamino)-N-methylazetidine-1-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(dimethylamino)-N-methylazetidine-1-carboxamide is CC(C)[C@@H](C(N)=O)N(C)C(=O)N1CC(N(C)C)C1.
What is the InChIKey of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(dimethylamino)-N-methylazetidine-1-carboxamide?
The InChIKey is WSZAZGCUKZSQJB-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24N4O2/c1-8(2)10(11(13)17)15(5)12(18)16-6-9(7-16)14(3)4/h8-10H,6-7H2,1-5H3,(H2,13,17)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(dimethylamino)-N-methylazetidine-1-carboxamide?
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(dimethylamino)-N-methylazetidine-1-carboxamide has a molecular weight of 256.35 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(dimethylamino)-N-methylazetidine-1-carboxamide is sourced from PubChem (CID 156736482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).